Molecule From Signature Builder tests

cdk · Jun 23, 2010 · 9d2a0c0 · 9d2a0c0
1 parent 7c46a7c
commit 9d2a0c0
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Showing 2 changed files with 73 additions and 0 deletions.
diff --git a/src/main/org/openscience/cdk/signature/MoleculeFromSignatureBuilder.java b/src/main/org/openscience/cdk/signature/MoleculeFromSignatureBuilder.java
@@ -23,6 +23,7 @@
 package org.openscience.cdk.signature;
 
 import org.openscience.cdk.annotations.TestClass;
+import org.openscience.cdk.annotations.TestMethod;
 import org.openscience.cdk.interfaces.IAtom;
 import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.interfaces.IBond;
@@ -60,6 +61,7 @@ public MoleculeFromSignatureBuilder(IChemObjectBuilder builder) {
     }
 
     @Override /** {@inheritDoc} */
+    @TestMethod("makeEdgeTest_singleBond,makeEdgeTest_doubleBond,makeEdgeTest_tripleBond")
     public void makeEdge(int vertexIndex1, int vertexIndex2,
             String vertexSymbol1, String vertexSymbol2, String edgeLabel) {
         if (edgeLabel.equals("")) {
@@ -72,11 +74,13 @@ public void makeEdge(int vertexIndex1, int vertexIndex2,
     }
 
     @Override /** {@inheritDoc} */
+    @TestMethod("makeGraphTest")
     public void makeGraph() {
         this.container = this.builder.newInstance(IAtomContainer.class);
     }
 
     @Override /** {@inheritDoc} */
+    @TestMethod("makeVertexTest")
     public void makeVertex(String label) {
         this.container.addAtom(this.builder.newInstance(IAtom.class, label));
     }

diff --git a/src/test/org/openscience/cdk/signature/MoleculeFromSignatureBuilderTest.java b/src/test/org/openscience/cdk/signature/MoleculeFromSignatureBuilderTest.java
@@ -29,6 +29,7 @@
 import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.interfaces.IBond;
 import org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder;
+import org.openscience.cdk.nonotify.NoNotificationChemObjectBuilderTest;
 
 import signature.AbstractVertexSignature;
 import signature.ColoredTree;
@@ -123,5 +124,73 @@ public void pentagonRingTest() {
     public void hexagonRingTest() {
         ringTest(5);
     }
+
+    @Test
+    public void makeGraphTest() {
+        MoleculeFromSignatureBuilder builder = 
+            new MoleculeFromSignatureBuilder(
+                    NoNotificationChemObjectBuilder.getInstance());
+        builder.makeGraph();
+        Assert.assertNotNull(builder.getAtomContainer());
+    }
+
+    @Test
+    public void makeVertexTest() {
+        MoleculeFromSignatureBuilder builder = 
+            new MoleculeFromSignatureBuilder(
+                    NoNotificationChemObjectBuilder.getInstance());
+        builder.makeGraph();
+        builder.makeVertex("C");
+        IAtomContainer product = builder.getAtomContainer();
+        Assert.assertEquals(1, product.getAtomCount());
+    }
+
+    @Test
+    public void makeEdgeTest_singleBond() {
+        MoleculeFromSignatureBuilder builder = 
+            new MoleculeFromSignatureBuilder(
+                    NoNotificationChemObjectBuilder.getInstance());
+        builder.makeGraph();
+        builder.makeVertex("C");
+        builder.makeVertex("C");
+        builder.makeEdge(0, 1, "C", "C", "");
+
+        IAtomContainer product = builder.getAtomContainer();
+        Assert.assertEquals(2, product.getAtomCount());
+        Assert.assertEquals(1, product.getBondCount());
+        Assert.assertEquals(IBond.Order.SINGLE, product.getBond(0).getOrder());
+    }
+
+    @Test
+    public void makeEdgeTest_doubleBond() {
+        MoleculeFromSignatureBuilder builder = 
+            new MoleculeFromSignatureBuilder(
+                    NoNotificationChemObjectBuilder.getInstance());
+        builder.makeGraph();
+        builder.makeVertex("C");
+        builder.makeVertex("C");
+        builder.makeEdge(0, 1, "C", "C", "=");
+
+        IAtomContainer product = builder.getAtomContainer();
+        Assert.assertEquals(2, product.getAtomCount());
+        Assert.assertEquals(1, product.getBondCount());
+        Assert.assertEquals(IBond.Order.DOUBLE, product.getBond(0).getOrder());
+    }
+
+    @Test
+    public void makeEdgeTest_tripleBond() {
+        MoleculeFromSignatureBuilder builder = 
+            new MoleculeFromSignatureBuilder(
+                    NoNotificationChemObjectBuilder.getInstance());
+        builder.makeGraph();
+        builder.makeVertex("C");
+        builder.makeVertex("C");
+        builder.makeEdge(0, 1, "C", "C", "#");
+
+        IAtomContainer product = builder.getAtomContainer();
+        Assert.assertEquals(2, product.getAtomCount());
+        Assert.assertEquals(1, product.getBondCount());
+        Assert.assertEquals(IBond.Order.TRIPLE, product.getBond(0).getOrder());
+    }
 
 }